element(s):
['C']
AFLOW prototype label:
A_oC8_67_m
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4679', '1.7318773', '3.3343328', '0.58332715', '0.24954517']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.41667285 0.24954517]]
spacegroup =  67
cell =  [[2.4679, 0, 0], [0, 4.2741, 0], [0, 0, 8.2288]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:54:48      -58.673145         1.419206
BFGS:    1 15:54:48      -58.726580         1.222389
BFGS:    2 15:54:48      -58.825083         0.756602
BFGS:    3 15:54:48      -58.878106         0.312379
BFGS:    4 15:54:48      -58.889472         0.017975
BFGS:    5 15:54:48      -58.889495         0.012380
BFGS:    6 15:54:48      -58.889499         0.003326
BFGS:    7 15:54:48      -58.889500         0.000812
BFGS:    8 15:54:48      -58.889500         0.000621
BFGS:    9 15:54:48      -58.889500         0.000650
BFGS:   10 15:54:48      -58.889500         0.000464
BFGS:   11 15:54:48      -58.889500         0.000186
BFGS:   12 15:54:48      -58.889500         0.000055
BFGS:   13 15:54:48      -58.889500         0.000005
BFGS:   14 15:54:48      -58.889500         0.000000
BFGS:   15 15:54:48      -58.889500         0.000000
Minimization converged after 15 steps.
Maximum force component: 6.070058233831333e-09 eV/Angstrom
Maximum stress component: 8.01347355713576e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 4.16666667e-01 2.49545170e-01]
 [0.00000000e+00 8.33333334e-02 2.49545170e-01]
 [4.65824778e-35 9.16666667e-01 7.50454830e-01]
 [8.70473195e-34 5.83333333e-01 7.50454830e-01]
 [5.00000000e-01 9.16666667e-01 2.49545170e-01]
 [5.00000000e-01 5.83333333e-01 2.49545170e-01]
 [5.00000000e-01 4.16666667e-01 7.50454830e-01]
 [5.00000000e-01 8.33333334e-02 7.50454830e-01]]
cellpar =  Cell([[2.5161851072619585, -4.0789130412622117e-38, 0.0], [6.279298815512793e-37, 4.358160447768563, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[ 8.74582520e-46  6.07005823e-09  0.00000000e+00]
 [ 4.34201263e-31 -6.07005823e-09  0.00000000e+00]
 [-4.96230015e-31  6.07005823e-09  0.00000000e+00]
 [-8.74582520e-46 -6.07005823e-09  0.00000000e+00]
 [-6.20287519e-32  6.07005823e-09  0.00000000e+00]
 [ 4.96230015e-31 -6.07005823e-09  0.00000000e+00]
 [-4.96230015e-31  6.07005823e-09  0.00000000e+00]
 [-8.74582520e-46 -6.07005823e-09  0.00000000e+00]]
stress =  [-8.01347356e-10 -6.85732885e-10  0.00000000e+00  0.00000000e+00
  0.00000000e+00 -2.24804320e-33]
energy per atom =  -7.3611874571147835
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0